6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile

C18H26N4O — CID 52538179

IUPAC6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile
SMILESCCC[C@@H]1CCCN(C(=O)CN(C)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H26N4O/c1-3-5-15-6-4-10-22(11-9-15)18(23)14-21(2)17-8-7-16(12-19)13-20-17/h7-8,13,15H,3-6,9-11,14H2,1-2H3/t15-/m1/s1
InChIKeyJULOLUBUVPBVKR-OAHLLOKOSA-N
MW314.43 g/mol
LogP2.82
Rot. Bonds5

About 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile

6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile (PubChem CID 52538179) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile
PubChem CID52538179
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile
SMILESCCC[C@@H]1CCCN(C(=O)CN(C)c2ccc(C#N)cn2)CC1
InChIInChI=1S/C18H26N4O/c1-3-5-15-6-4-10-22(11-9-15)18(23)14-21(2)17-8-7-16(12-19)13-20-17/h7-8,13,15H,3-6,9-11,14H2,1-2H3/t15-/m1/s1
InChIKeyJULOLUBUVPBVKR-OAHLLOKOSA-N
XLogP2.82
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile (CID 52538179) is 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile is CCC[C@@H]1CCCN(C(=O)CN(C)c2ccc(C#N)cn2)CC1.
What is the InChIKey of 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is JULOLUBUVPBVKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-5-15-6-4-10-22(11-9-15)18(23)14-21(2)17-8-7-16(12-19)13-20-17/h7-8,13,15H,3-6,9-11,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile?
6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 314.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 52538179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).